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Ligand · DR7

DR7 · (3S,8S,9S,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester

DR7, (3S,8S,9S,12S)-3,12-bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5, 6,10,13-pentaazatetradecanedioic acid dimethyl ester (C38 H52 N6 O7, 704.9 g/mol), in the MolNFT structures on…

Component
DR7
Formula
C38 H52 N6 O7
Class
ligand
Structures
20
PDB entries
10

Binding sites

DR7 in 20 structures; the first of them:

  • 2AQU · Structure of HIV-1 protease bound to atazanavir · DR7 B300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2FXD · X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir… · DR7 A102 · binds ARG8, ILE10, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30 and 22 more
  • 2FXE · X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir… · DR7 A102 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2O4K · Crystal Structure of HIV-1 Protease (Q7K) in Complex with Atazanavir · DR7 A301 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 3EKW · Crystal structure of the inhibitor Atazanavir (ATV) in complex with a multi-drug… · DR7 B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3EKY · Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 3EL1 · Crystal Structure of wild-type HIV protease in complex with the inhibitor, Atazanavir · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3EL9 · Crystal structure of atazanavir (ATV) in complex with a multidrug HIV-1 protease… · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3EM4 · Crystal structure of atazanavir (ATV) in complex with I50L/A71V drug-resistant HIV-1… · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47 and 22 more
  • 3OXX · Crystal Structure of HIV-1 I50V, A71V Protease in Complex with the Protease Inhibitor… · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 2AQU · Structure of HIV-1 protease bound to atazanavir · DR7 B300 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2FXD · X-ray crystal structure of HIV-1 protease irm mutant complexed with atazanavir… · DR7 A102 · binds ARG8, ILE10, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30 and 22 more
  • 2FXE · X-ray crystal structure of HIV-1 protease crm mutant complexed with atazanavir… · DR7 A102 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 2O4K · Crystal structure of HIV-1 protease (Q7K) in complex with atazanavir · DR7 A301 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 3EKW · Crystal structure of the inhibitor atazanavir (atv) in complex with a multi-drug… · DR7 B100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3EKY · Crystal structure of wild-type HIV protease in complex with the inhibitor, atazanavir · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more
  • 3EL1 · Crystal structure of wild-type HIV protease in complex with the inhibitor, atazanavir · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3EL9 · Crystal structure of atazanavir (atv) in complex with a multidrug HIV- 1 protease… · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
  • 3EM4 · Crystal structure of atazanavir (atv) in complex with I50L/A71V drug- resistant HIV-1… · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, ILE47 and 22 more
  • 3OXX · Crystal structure of HIV-1 I50V, A71V protease in complex with the protease inhibitor… · DR7 A100 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 23 more

Residues it binds most

ASP 24, GLY 24, ILE 24, VAL 24, ALA 24, LEU 24, ARG 24, PRO 24, PHE 14, THR 2 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • ACT · Acetate ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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